1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone

C12H19N3O2 — CID 79666582

IUPAC1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCCN1CCOC(C(=O)Cc2cnn(C)c2)C1
InChIInChI=1S/C12H19N3O2/c1-3-15-4-5-17-12(9-15)11(16)6-10-7-13-14(2)8-10/h7-8,12H,3-6,9H2,1-2H3
InChIKeyVTHOESPGAJPNET-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.25
Rot. Bonds4

About 1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone

1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone (PubChem CID 79666582) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
PubChem CID79666582
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCCN1CCOC(C(=O)Cc2cnn(C)c2)C1
InChIInChI=1S/C12H19N3O2/c1-3-15-4-5-17-12(9-15)11(16)6-10-7-13-14(2)8-10/h7-8,12H,3-6,9H2,1-2H3
InChIKeyVTHOESPGAJPNET-UHFFFAOYSA-N
XLogP0.25
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 79666666
1-(4-ethylmorpholin-2-yl)-2-(4-methylphenyl)ethanone
CID 79666250
1-(4-propylmorpholin-2-yl)-2-pyridin-4-ylethanone
CID 79669232
2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668855
2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669702
2-(2-chloro-4-methylphenyl)-1-(4-ethylmorpholin-2-yl)ethanone
CID 106867039
(4-bromo-1-methylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone
CID 114641459
4-ethylmorpholine-2-carboxylate
CID 127053688
1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347306
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669620
2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone
CID 79667003
2-[1-(1-ethylpyrrolidin-3-yl)pyrazol-4-yl]acetic acid
CID 105480595

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone (CID 79666582) is 1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone is CCN1CCOC(C(=O)Cc2cnn(C)c2)C1.
What is the InChIKey of 1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is VTHOESPGAJPNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-15-4-5-17-12(9-15)11(16)6-10-7-13-14(2)8-10/h7-8,12H,3-6,9H2,1-2H3.
What are the key properties of 1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone?
1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 237.30 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 79666582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).